2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline

C17H19N — CID 23568852

IUPAC2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(C2c3ccccc3CCN2C)cc1
InChIInChI=1S/C17H19N/c1-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18(17)2/h3-10,17H,11-12H2,1-2H3
InChIKeyPKUGPKIPKLODIJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.57
Rot. Bonds1

About 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline

2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 23568852) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID23568852
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCc1ccc(C2c3ccccc3CCN2C)cc1
InChIInChI=1S/C17H19N/c1-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18(17)2/h3-10,17H,11-12H2,1-2H3
InChIKeyPKUGPKIPKLODIJ-UHFFFAOYSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-(4-methylphenyl)-1,3-dihydroisoindole
CID 163561208
2-ethyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline;yttrium
CID 59396688
3-methyl-1-[(1R)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]but-2-en-1-one
CID 92757749
3-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-enal
CID 54113380
[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 46095510
(1S)-N,1-bis(4-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92767297
1-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-diphenylethanone
CID 92818850
1-(furan-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 15056816
(1R)-1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 138972942
2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995589
furan-2-yl-[1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 42691571
(3,4-difluorophenyl)-[(1S)-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 92767988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline (CID 23568852) is 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline is Cc1ccc(C2c3ccccc3CCN2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is PKUGPKIPKLODIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-7-9-15(10-8-13)17-16-6-4-3-5-14(16)11-12-18(17)2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline?
2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 237.35 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 23568852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).